HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10156",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10154",
"results": [
{
"id": "mp-1104734",
"created_at": "2022-09-04T14:41:26.302772Z",
"structure_string": "Te2 Br12\n1.0\n7.428041 0.000000 0.000000\n0.000000 7.428041 0.000000\n0.000000 0.000000 11.080600\nTe Br\n2 12\ndirect\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.268374 Br\n0.000000 0.000000 0.768374 Br\n0.500000 0.500000 0.731626 Br\n0.000000 0.000000 0.231626 Br\n0.780972 0.705257 0.500000 Br\n0.219028 0.294743 0.500000 Br\n0.719028 0.205257 0.000000 Br\n0.280972 0.794743 0.000000 Br\n0.705257 0.219028 0.500000 Br\n0.294743 0.780972 0.500000 Br\n0.205257 0.280972 0.000000 Br\n0.794743 0.719028 0.000000 Br\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Te",
"Br"
],
"chemical_system": "Br-Te",
"density": 3.2974110833614985,
"density_atomic": 0.02289898189546797,
"volume": 611.3808929981641,
"volume_molar": 26.298727111496017,
"formula_full": "Te2 Br12",
"formula_reduced": "TeBr6",
"formula_anonymous": "AB6",
"energy": -33.6492616,
"energy_per_atom": -2.403518685714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.2412616,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0177924,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.466000Z",
"spacegroup": 128
},
{
"id": "mp-2616",
"created_at": "2022-09-04T14:45:20.763983Z",
"structure_string": "Np1 O2\n1.0\n0.000000 2.697334 2.697334\n2.697334 0.000000 2.697334\n2.697334 2.697334 0.000000\nNp O\n1 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Np",
"O"
],
"chemical_system": "Np-O",
"density": 11.380602752540263,
"density_atomic": 0.07643408639717948,
"volume": 39.24950426450972,
"volume_molar": 7.878867981369927,
"formula_full": "Np1 O2",
"formula_reduced": "NpO2",
"formula_anonymous": "AB2",
"energy": -33.64731423,
"energy_per_atom": -11.21577141,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.27331423,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9971541,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:57.283000Z",
"spacegroup": 225
},
{
"id": "mp-1207022",
"created_at": "2022-09-04T14:39:11.324167Z",
"structure_string": "K1 P2 Ru2\n1.0\n-2.027840 2.027840 6.345275\n2.027840 -2.027840 6.345275\n2.027840 2.027840 -6.345275\nK P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.337313 0.337313 0.000000 P\n0.662687 0.662687 0.000000 P\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"P",
"Ru"
],
"chemical_system": "K-P-Ru",
"density": 4.823698752218254,
"density_atomic": 0.04790625184331409,
"volume": 104.37051131350015,
"volume_molar": 12.570678206461405,
"formula_full": "K1 P2 Ru2",
"formula_reduced": "K(PRu)2",
"formula_anonymous": "AB2C2",
"energy": -33.64706022,
"energy_per_atom": -6.729412044,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.64706022,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003877,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.923000Z",
"spacegroup": 139
},
{
"id": "mp-1112081",
"created_at": "2022-09-04T14:47:43.793132Z",
"structure_string": "K2 Tl1 Ag1 Cl6\n1.0\n0.000000 5.309369 5.309369\n5.309369 0.000000 5.309369\n5.309369 5.309369 0.000000\nK Tl Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.751065 0.248935 0.248935 Cl\n0.248935 0.248935 0.751065 Cl\n0.248935 0.751065 0.751065 Cl\n0.248935 0.751065 0.248935 Cl\n0.751065 0.248935 0.751065 Cl\n0.751065 0.751065 0.248935 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K-Tl",
"density": 3.3460104826645223,
"density_atomic": 0.03340729215054485,
"volume": 299.33584425030705,
"volume_molar": 18.026425885887857,
"formula_full": "K2 Tl1 Ag1 Cl6",
"formula_reduced": "K2TlAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.64614583,
"energy_per_atom": -3.3646145830000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.96214583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004474,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.366000Z",
"spacegroup": 225
},
{
"id": "mp-605650",
"created_at": "2022-09-04T14:41:06.283104Z",
"structure_string": "Ba5 Ga5 Pb1\n1.0\n3.068676 -5.315102 0.000000\n3.068676 5.315102 0.000000\n0.000000 0.000000 10.887344\nBa Ga Pb\n5 5 1\ndirect\n0.666667 0.333333 0.832493 Ba\n0.333333 0.666667 0.705540 Ba\n0.333333 0.666667 0.294460 Ba\n0.666667 0.333333 0.167507 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.173221 Ga\n0.183242 0.816758 0.000000 Ga\n0.183242 0.366484 0.000000 Ga\n0.000000 0.000000 0.826779 Ga\n0.633516 0.816758 0.000000 Ga\n0.666667 0.333333 0.500000 Pb\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Pb"
],
"chemical_system": "Ba-Ga-Pb",
"density": 5.809161319310882,
"density_atomic": 0.030972631407283766,
"volume": 355.152258629635,
"volume_molar": 19.44342629726897,
"formula_full": "Ba5 Ga5 Pb1",
"formula_reduced": "Ba5Ga5Pb",
"formula_anonymous": "AB5C5",
"energy": -33.64610997,
"energy_per_atom": -3.05873727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.64610997,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0093751,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.591000Z",
"spacegroup": 187
},
{
"id": "mp-1016842",
"created_at": "2022-09-04T14:46:32.791403Z",
"structure_string": "Ti1 Hg1 O3\n1.0\n3.921312 0.000000 0.000000\n0.000000 3.921312 0.000000\n0.000000 0.000000 3.921312\nTi Hg O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Hg",
"O"
],
"chemical_system": "Hg-O-Ti",
"density": 8.164206384227668,
"density_atomic": 0.0829231534081716,
"volume": 60.29679039566384,
"volume_molar": 7.2623151827780745,
"formula_full": "Ti1 Hg1 O3",
"formula_reduced": "TiHgO3",
"formula_anonymous": "ABC3",
"energy": -33.64386974,
"energy_per_atom": -6.728773948,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.58286974,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065701,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.241000Z",
"spacegroup": 221
},
{
"id": "mp-977401",
"created_at": "2022-09-04T14:42:46.095777Z",
"structure_string": "Nb1 Ga1 Ru2\n1.0\n0.000000 3.108556 3.108556\n3.108556 0.000000 3.108556\n3.108556 3.108556 0.000000\nNb Ga Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Ga",
"Ru"
],
"chemical_system": "Ga-Nb-Ru",
"density": 10.08234119644994,
"density_atomic": 0.06658155122159756,
"volume": 60.07670182821589,
"volume_molar": 9.044758870151636,
"formula_full": "Nb1 Ga1 Ru2",
"formula_reduced": "NbGaRu2",
"formula_anonymous": "ABC2",
"energy": -33.64350425,
"energy_per_atom": -8.4108760625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.64350425,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.327000Z",
"spacegroup": 225
},
{
"id": "mp-1228815",
"created_at": "2022-09-04T14:45:21.772233Z",
"structure_string": "Al2 Re2\n1.0\n3.101512 0.000000 0.000000\n0.000000 3.101512 0.000000\n0.000000 0.000000 5.995543\nAl Re\n2 2\ndirect\n0.500000 0.000000 0.371979 Al\n0.000000 0.500000 0.628021 Al\n0.500000 0.000000 0.865168 Re\n0.000000 0.500000 0.134832 Re\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Re"
],
"chemical_system": "Al-Re",
"density": 12.276299972751703,
"density_atomic": 0.06935607979578637,
"volume": 57.67338655497386,
"volume_molar": 8.6829312984986,
"formula_full": "Al2 Re2",
"formula_reduced": "AlRe",
"formula_anonymous": "AB",
"energy": -33.64332561,
"energy_per_atom": -8.4108314025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.64332561,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.356000Z",
"spacegroup": 129
},
{
"id": "mp-1222145",
"created_at": "2022-09-04T14:43:35.192851Z",
"structure_string": "Mg3 Mn1 Te4\n1.0\n4.583638 0.000000 0.000000\n0.000000 4.583638 0.000000\n0.000000 0.000000 12.902188\nMg Mn Te\n3 1 4\ndirect\n0.000000 0.000000 0.751243 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.248757 Mg\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.374798 Te\n0.500000 0.000000 0.120192 Te\n0.000000 0.500000 0.879808 Te\n0.500000 0.000000 0.625202 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Te"
],
"chemical_system": "Mg-Mn-Te",
"density": 3.909831170726224,
"density_atomic": 0.029512499909606547,
"volume": 271.0715806693129,
"volume_molar": 20.405390185328717,
"formula_full": "Mg3 Mn1 Te4",
"formula_reduced": "Mg3MnTe4",
"formula_anonymous": "AB3C4",
"energy": -33.64234323,
"energy_per_atom": -4.20529290375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.95434323,
"band_gap": 1.1158,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0200098,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.289000Z",
"spacegroup": 115
},
{
"id": "mp-1028296",
"created_at": "2022-09-04T14:47:39.882366Z",
"structure_string": "Mg14 V1 Ga1\n1.0\n6.271336 0.000000 0.000000\n-3.135668 5.431136 -0.000000\n-0.000000 0.000000 10.292550\nMg V Ga\n14 1 1\ndirect\n0.167952 0.833975 0.125000 Mg\n0.165863 0.832931 0.625000 Mg\n0.666025 0.332048 0.125000 Mg\n0.667069 0.334137 0.625000 Mg\n0.666025 0.833975 0.125000 Mg\n0.667069 0.832931 0.625000 Mg\n0.330286 0.169714 0.374303 Mg\n0.330286 0.169714 0.875697 Mg\n0.330286 0.660574 0.374303 Mg\n0.330286 0.660574 0.875697 Mg\n0.839426 0.169714 0.374303 Mg\n0.839426 0.169714 0.875697 Mg\n0.833333 0.666667 0.375148 Mg\n0.833333 0.666667 0.874852 Mg\n0.166667 0.333333 0.125000 V\n0.166667 0.333333 0.625000 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"V",
"Ga"
],
"chemical_system": "Ga-Mg-V",
"density": 2.183305856780391,
"density_atomic": 0.04564006450793384,
"volume": 350.569180225822,
"volume_molar": 13.194855933985679,
"formula_full": "Mg14 V1 Ga1",
"formula_reduced": "Mg14VGa",
"formula_anonymous": "ABC14",
"energy": -33.64210062,
"energy_per_atom": -2.10263128875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.64210062,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.5860388,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.976000Z",
"spacegroup": 187
},
{
"id": "mp-1179239",
"created_at": "2022-09-04T14:46:01.766831Z",
"structure_string": "Tb2 Fe4\n1.0\n7.816901 1.649869 7.294863\n-1.075003 1.585308 1.976047\n-5.418003 -5.058277 -1.072403\nTb Fe\n2 4\ndirect\n0.747450 0.876904 0.000000 Tb\n0.252550 0.123096 0.000000 Tb\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tb",
"Fe"
],
"chemical_system": "Fe-Tb",
"density": 6.088917022969561,
"density_atomic": 0.04064992846963925,
"volume": 147.6017357442904,
"volume_molar": 14.81464048454067,
"formula_full": "Tb2 Fe4",
"formula_reduced": "TbFe2",
"formula_anonymous": "AB2",
"energy": -33.63611497,
"energy_per_atom": -5.606019161666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.63611497,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.036244,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.661000Z",
"spacegroup": 12
},
{
"id": "mp-984628",
"created_at": "2022-09-04T14:41:13.784478Z",
"structure_string": "Ca1 B1 O3\n1.0\n3.479680 0.000000 0.000000\n0.000000 3.479680 0.000000\n0.000000 0.000000 3.479680\nCa B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"B",
"O"
],
"chemical_system": "B-Ca-O",
"density": 3.8973665776244015,
"density_atomic": 0.11867304429635235,
"volume": 42.13256708502324,
"volume_molar": 5.074564991323056,
"formula_full": "Ca1 B1 O3",
"formula_reduced": "CaBO3",
"formula_anonymous": "ABC3",
"energy": -33.6335767,
"energy_per_atom": -6.72671534,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.5725767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0337239,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.488000Z",
"spacegroup": 221
}
]
}